BDBM50111781 CHEMBL3605366

SMILES: CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12

InChI Key: InChIKey=UXNOWLDFIQZJQY-YBKIVMFTSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50111781   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50111781 (CHEMBL3605366) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOA				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50111781 (CHEMBL3605366) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50111781 (CHEMBL3605366) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50111781 (CHEMBL3605366) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB				J Med Chem 58: 6710-5 (2015) BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
					More data for this Ligand-Target Pair